Molecule FYI-1014788

A

Molecule Summary:

ID: FYI-1014788
Names:
InChIKey: MBVXGUVKDMJPQB-WZPJKCILSA-N
SMILES: C=C(C)C(C/C=C(C)\\C)C[C@]23C[C@H](C/C=C(C)\\C)[C@@](C)(CC/C=C(C)/C)[C@](C/C=C(C)\\C)(C(=O)/C(=C(O)/c1ccc(O)c(O)c1)C2=O)C3=O

Received at FYIcenter.com on: 2025-05-23

Molecule ID: FYI-1014788 Edit

Molecule Structure InChIKey: MBVXGUVKDMJPQB-WZPJKCILSA-N

Molecule Structure SMILES String: C=C(C)C(C/C=C(C)\C)C[C@]23C[C@H](C/C=C(C)\C)[C@@](C)(CC/C=C(C)/C)[C@](C/C=C(C)\C)(C(=O)/C(=C(O)/c1ccc(O)c(O)c1)C2=O)C3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1014788
FYIcenter.com

 49 51  0  0  1  0  0  0  0  0999 V2000
   14.7657    7.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3814    7.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6893    6.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3050    6.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6129    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2286    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5364    6.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    6.5504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4600    5.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    3.7532    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    3.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2023    2.5076    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5371    1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1528    1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0764    2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    1.3555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0764    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4607    0.1567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3843    3.7532    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.2293    0.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6135    2.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3057    1.3555    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5364    4.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1522    4.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5213    3.0604    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7352    3.4607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7352    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9340    1.3843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1328    2.0764    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9340    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611    6.0438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2611    7.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0623    8.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0623    9.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635   10.1966    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    9.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8635   11.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4600    8.1202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4600    9.5045    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6588    7.4280    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2286    7.7493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5364    8.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2286   10.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6129   10.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5364   11.3457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9207    4.1528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6893    8.9481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
  9 10  1  6  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 16  1  0  0  0  0
 22 13  1  0  0  0  0
 23 12  1  0  0  0  0
 24 23  2  0  0  0  0
 25 23  1  6  0  0  0
 25  6  1  0  0  0  0
 26 25  1  0  0  0  0
 26  9  1  0  0  0  0
 27 26  2  0  0  0  0
 28 25  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33  9  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 37  1  0  0  0  0
 40 34  1  0  0  0  0
 41 40  2  0  0  0  0
 42 40  1  0  0  0  0
  7 43  1  6  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 45  1  0  0  0  0
 47 45  1  0  0  0  0
  6 48  1  6  0  0  0
 49  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014788-3D
FYIcenter.com

107109  0     1  0  0  0  0  0999 V2000
   -1.1195   -1.5661   -2.1090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9362   -2.2837    2.3415 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4517    1.2436    0.3338 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4823   -1.9936    2.9741 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0095   -0.3604    0.2450 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3471    1.8963    1.8310 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9939   -0.4759    0.5641 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.8075   -1.4723    0.2238 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5234    1.0332    0.6183 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.4661    0.4118   -0.8778 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5796    1.4214   -0.5478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1266   -0.9486   -1.0466 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0897   -0.5636   -0.5437 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2321    0.8244   -2.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2742   -2.9228   -0.0394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7124   -0.8606    1.8805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7646   -1.5636    1.3579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9854    1.5220    1.9725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5813    0.3803    0.2340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4738   -0.7317    1.2271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6616    0.2643   -2.3075 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.2684    0.3138   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1032   -3.8467   -0.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6600    2.9808    1.9186 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5213   -0.9932    2.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5075    1.2291   -3.1717 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6974   -1.1725   -2.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3073    0.2494   -1.2616 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8792   -4.9271    0.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4607    4.0141    2.2416 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7882   -0.2381    1.9688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9601    0.8417   -3.2532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2707   -2.2413   -1.9315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8334    1.2734   -1.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2265   -1.4798   -4.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8770   -5.3333    1.7371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3233   -5.8228    0.5913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743    5.4640    2.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8614    3.7683    2.7360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8155   -0.6561    1.1229 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0242    1.5944   -2.9156 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9583    0.8940    2.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4001    2.6883   -1.6836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8740    1.1406   -3.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0128    0.0579    1.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1558    1.6077    2.7171 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4562    1.1516   -3.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8381    2.9975   -2.4047 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1829    1.1899    1.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3684    1.6997    0.4728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1495    2.4198   -0.4225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2131    1.5163   -1.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4468   -1.5945   -0.6551 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6886   -0.2675   -1.5200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3783    0.5886   -3.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3016    1.9218   -2.1825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7865   -3.0055   -1.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0143   -3.2281    0.7006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3924   -0.0800    2.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0056   -1.0172    2.7001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2931   -1.7838    1.7804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0859    0.9931    2.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6990    1.3334    2.7791 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2178    0.2341   -1.3740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7847   -0.0835    0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0617    1.3523    0.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3543   -3.6364   -0.8474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6473    3.2194    1.5958 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1098    1.2743   -4.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4004    2.2384   -2.7618 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6726   -0.7511   -1.4913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625   -0.1523   -3.6478 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3340   -2.0521   -1.7578 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7521   -2.2634   -0.9708 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1809   -3.2388   -2.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8094   -0.7272   -4.7015 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2481   -2.4992   -4.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6924   -2.5431    2.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5444   -6.1060    1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4804   -4.5161    2.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3543   -5.7555    2.6036 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8841   -5.8102    1.5314 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -6.8517    0.3776 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0021   -5.5028   -0.2062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7269    5.9978    1.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1562    5.9326    3.1519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0426    5.5883    1.8208 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9255    3.9957    3.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2292    2.7519    2.5818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5612    4.4257    2.2073 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6923   -1.5485    0.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1665    1.2320    3.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9470    3.0951   -0.8272 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6069    3.3314   -2.5468 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3241    2.7710   -1.5033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1762    0.0977   -3.1771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4862    1.5085   -3.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7684    1.7152   -2.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2747    2.4882    3.3429 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5340    0.1126   -3.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9495    1.2240   -2.0448 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9991    1.7777   -3.7346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0878    3.5520   -2.9764 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680    3.5706   -2.4936 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5571    2.9842   -1.3467 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7082   -1.1466   -0.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2834    2.6467    2.4464 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  2  0  0  0  0
  2 17  2  0  0  0  0
  3 19  2  0  0  0  0
  4 25  1  0  0  0  0
  4 78  1  0  0  0  0
  5 45  1  0  0  0  0
  5106  1  0  0  0  0
  6 49  1  0  0  0  0
  6107  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  7 16  1  0  0  0  0
  8 12  1  0  0  0  0
  8 15  1  0  0  0  0
  8 17  1  0  0  0  0
  9 11  1  0  0  0  0
  9 18  1  0  0  0  0
  9 50  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 19  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 13 22  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 21  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 23  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 20  1  0  0  0  0
 18 24  1  0  0  0  0
 18 62  1  0  0  0  0
 18 63  1  0  0  0  0
 19 20  1  0  0  0  0
 20 25  2  0  0  0  0
 21 26  1  0  0  0  0
 21 27  1  0  0  0  0
 21 64  1  0  0  0  0
 22 28  1  0  0  0  0
 22 65  1  0  0  0  0
 22 66  1  0  0  0  0
 23 29  2  0  0  0  0
 23 67  1  0  0  0  0
 24 30  2  0  0  0  0
 24 68  1  0  0  0  0
 25 31  1  0  0  0  0
 26 32  1  0  0  0  0
 26 69  1  0  0  0  0
 26 70  1  0  0  0  0
 27 33  1  0  0  0  0
 27 35  2  0  0  0  0
 28 34  2  0  0  0  0
 28 71  1  0  0  0  0
 29 36  1  0  0  0  0
 29 37  1  0  0  0  0
 30 38  1  0  0  0  0
 30 39  1  0  0  0  0
 31 40  2  0  0  0  0
 31 42  1  0  0  0  0
 32 41  2  0  0  0  0
 32 72  1  0  0  0  0
 33 73  1  0  0  0  0
 33 74  1  0  0  0  0
 33 75  1  0  0  0  0
 34 43  1  0  0  0  0
 34 44  1  0  0  0  0
 35 76  1  0  0  0  0
 35 77  1  0  0  0  0
 36 79  1  0  0  0  0
 36 80  1  0  0  0  0
 36 81  1  0  0  0  0
 37 82  1  0  0  0  0
 37 83  1  0  0  0  0
 37 84  1  0  0  0  0
 38 85  1  0  0  0  0
 38 86  1  0  0  0  0
 38 87  1  0  0  0  0
 39 88  1  0  0  0  0
 39 89  1  0  0  0  0
 39 90  1  0  0  0  0
 40 45  1  0  0  0  0
 40 91  1  0  0  0  0
 41 47  1  0  0  0  0
 41 48  1  0  0  0  0
 42 46  2  0  0  0  0
 42 92  1  0  0  0  0
 43 93  1  0  0  0  0
 43 94  1  0  0  0  0
 43 95  1  0  0  0  0
 44 96  1  0  0  0  0
 44 97  1  0  0  0  0
 44 98  1  0  0  0  0
 45 49  2  0  0  0  0
 46 49  1  0  0  0  0
 46 99  1  0  0  0  0
 47100  1  0  0  0  0
 47101  1  0  0  0  0
 47102  1  0  0  0  0
 48103  1  0  0  0  0
 48104  1  0  0  0  0
 48105  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 166👍, 0💬